Ring Transformation of UnsaturatedN-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction

2011 ◽  
Vol 76 (2) ◽  
pp. 696-699 ◽  
Author(s):  
Annamária Molnár ◽  
Zoltán Mucsi ◽  
Gábor Vlád ◽  
Kálmán Simon ◽  
Tamás Holczbauer ◽  
...  
Keyword(s):  
Ring Transformation ◽  
Nonbonded Interaction

scholarly journals Prospective Role of Peptide-Based Antiviral Therapy Against the Main Protease of SARS-CoV-2

2021 ◽  
Vol 8 ◽  
Author(s):  
Shafi Mahmud ◽  
Gobindo Kumar Paul ◽  
Suvro Biswas ◽  
Shamima Afrose ◽  
Mohasana Akter Mita ◽  
...  
Keyword(s):  
Stability Index ◽  
Dynamics Simulation ◽  
World Health ◽  
Economic Sectors ◽  
Negative Results ◽  
Main Protease ◽  
And Control ◽  
Control Complex ◽  
Nonbonded Interaction

The recently emerged coronavirus (SARS-CoV-2) has created a crisis in world health, and economic sectors as an effective treatment or vaccine candidates are still developing. Besides, negative results in clinical trials and effective cheap solution against this deadly virus have brought new challenges. The viral protein, the main protease from SARS-CoV-2, can be effectively targeted due to its viral replication and pathogenesis role. In this study, we have enlisted 88 peptides from the AVPdb database. The peptide molecules were modeled to carry out the docking interactions. The four peptides molecules, P14, P39, P41, and P74, had more binding energy than the rest of the peptides in multiple docking programs. Interestingly, the active points of the main protease from SARS-CoV-2, Cys145, Leu141, Ser139, Phe140, Leu167, and Gln189, showed nonbonded interaction with the peptide molecules. The molecular dynamics simulation study was carried out for 200 ns to find out the docked complex’s stability where their stability index was proved to be positive compared to the apo and control complex. Our computational works based on peptide molecules may aid the future development of therapeutic options against SARS-CoV-2.

Cu(OTf)2-catalysed synthesis of structurally novel bicyclic 1,3-oxazines via condensation-dehydrazinative ring transformation cascades

2009 ◽  
Vol 2009 (8) ◽  
pp. 520-526 ◽  
Author(s):  
Lal Dhar Singh Yadav ◽  
Ankita Rai ◽  
Vijai Kumar Rai ◽  
Chhama Awasthi
Keyword(s):  
Lewis Acid ◽  
Dual Role ◽  
Ring Transformation ◽  
Diversity Oriented Synthesis

The Cu(OTf)2-catalysed expeditious synthesis of 1,3-oxazin-2-ones(thiones) from unprotected D-glucose and D-xylose in excellent yields is reported. Cu(OTf)2 plays a dual role of a Lewis acid and an oxidant for dehydrazination, which is the cornerstone in the present investigation. The 1,3-oxazin-2-ones(thiones) serve as synthons for diversity oriented synthesis of structurally distinct bicyclic 1,3-oxazin-2-ones(thiones), when subjected to Malaprade reaction, followed by Cu(OTf)2-catalysed cyclisation with an appropriate traditional reagent such as phenylhydrazine, amidines, hydroxylamine, or semi(thiosemi)carbazide.

Role of dactinomycin in the improved survival of children with Wilms' tumor

JAMA ◽  
1966 ◽  
Vol 195 (12) ◽  
pp. 1005-1009 ◽  
Author(s):  
D. J. Fernbach
Keyword(s):  
Wilms Tumor

Role of the allergist in diagnosis and management of patients with uveitis

JAMA ◽  
1966 ◽  
Vol 195 (3) ◽  
pp. 167-172 ◽  
Author(s):  
T. E. Van Metre
Keyword(s):  
Diagnosis And Management

The power of norms to sway fused group members

2018 ◽  
Vol 41 ◽  
Author(s):  
Winnifred R. Louis ◽  
Craig McGarty ◽  
Emma F. Thomas ◽  
Catherine E. Amiot ◽  
Fathali M. Moghaddam
Keyword(s):  
Evolutionary Anthropology ◽  
Normative Systems ◽  
Violent Extremism ◽  
Identity Fusion ◽  
Group Members

AbstractWhitehouse adapts insights from evolutionary anthropology to interpret extreme self-sacrifice through the concept of identity fusion. The model neglects the role of normative systems in shaping behaviors, especially in relation to violent extremism. In peaceful groups, increasing fusion will actually decrease extremism. Groups collectively appraise threats and opportunities, actively debate action options, and rarely choose violence toward self or others.

Elaborating the role of reflection and individual differences in the study of folk-economic beliefs

2018 ◽  
Vol 41 ◽  
Author(s):  
Kevin Arceneaux
Keyword(s):  
Decision Making ◽  
Individual Differences ◽  
Cognitive Processes ◽  
Evolutionary History ◽  
Behavioral Responses ◽  
History Of ◽  
Economic Beliefs

AbstractIntuitions guide decision-making, and looking to the evolutionary history of humans illuminates why some behavioral responses are more intuitive than others. Yet a place remains for cognitive processes to second-guess intuitive responses – that is, to be reflective – and individual differences abound in automatic, intuitive processing as well.

The role of affect in feelings of obligation

2020 ◽  
Vol 43 ◽  
Author(s):  
Stefen Beeler-Duden ◽  
Meltem Yucel ◽  
Amrisha Vaish
Keyword(s):  
Positive Emotions ◽  
The Creation ◽  
Sense Of Obligation

Abstract Tomasello offers a compelling account of the emergence of humans’ sense of obligation. We suggest that more needs to be said about the role of affect in the creation of obligations. We also argue that positive emotions such as gratitude evolved to encourage individuals to fulfill cooperative obligations without the negative quality that Tomasello proposes is inherent in obligations.

Refining our understanding of the “elephant in the room”

2020 ◽  
Vol 43 ◽  
Author(s):  
Andrew Whiten
Keyword(s):  
Social Cognition ◽  
Cultural Evolution ◽  
Cognitive Abilities ◽  
Critical Factors ◽  
Technological Culture

Abstract The authors do the field of cultural evolution a service by exploring the role of non-social cognition in human cumulative technological culture, truly neglected in comparison with socio-cognitive abilities frequently assumed to be the primary drivers. Some specifics of their delineation of the critical factors are problematic, however. I highlight recent chimpanzee–human comparative findings that should help refine such analyses.

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